CDI Type II Computational Discovery of Unusual Nucleic-Acid-Based Nanostructures

CDI II 型计算发现不寻常的基于核酸的纳米结构

• 批准号: 0835794
• 负责人: Carol Hall
• 金额: $ 150万
• 依托单位: North Carolina State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-09-01 至 2014-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0835794&HistoricalAwards=false
• 关键词: CDI; Type; II; Computational; Discovery

CBET-0835794HallDNA can be possibly used to construct tiny scaffolds with many potential applications including molecular medicine, electronics, sensors, computing and communications equipment, and consumer electronics. Two-dimensional nanostructures have already been devised, but further design and development has so far been limited to making incremental improvements using empirically derived guidelines. This project intends to break these barriers using advanced modeling techniques, a multidisciplinary team of modelers and experimentalists, and a cyber-driven strategy to design complex, three-dimensional objects at nanometer size scales. First, modified natural and non-natural nucleosides (the components RNA) will be devised to increase the number of molecular tools available to create these structures and to provide accessible sites for attachment of functional components. Structures will be computed for these two- and three-dimensional DNA-based building blocks, with and without modified nucleosides. Stability will then be determined for the building blocks in solution, on planar surfaces, and/or with metallic nanoparticles. Ultimately, new, hybrid extended three-dimensional architectures will be designed and built using these findings. A key to success is testing and refining the modeling approaches by comparing computed results to the team's experimental results. The education and outreach agenda includes a team mentoring program for a small group of women graduate and undergraduate students, individual outreach efforts to underrepresented groups, and training of four graduate students and four undergraduates. Cyber-enabled education is an especially interesting aspect of the project, where a website containing freely-available cyber-structure software and visuals will allow researchers to design their own DNA superstructures and will also allow community members, including grades 7-12, to learn more about DNA self-assembly.

CBET-0835794 HallDNA可能用于构建具有许多潜在应用的微小支架，包括分子医学，电子，传感器，计算和通信设备以及消费电子产品。二维纳米结构已经被设计出来，但进一步的设计和开发迄今为止仅限于使用经验得出的指导方针进行渐进式改进。 该项目旨在利用先进的建模技术，多学科的建模人员和实验人员团队，以及网络驱动的策略来设计纳米尺度的复杂三维物体，从而打破这些障碍。 首先，将设计修饰的天然和非天然核苷（组分RNA）以增加可用于创建这些结构的分子工具的数量，并提供用于连接功能组分的可接近位点。 结构将计算这些二维和三维的DNA为基础的积木，有和没有修饰的核苷。 然后将确定溶液中、平面表面上和/或具有金属纳米颗粒的结构单元的稳定性。 最终，新的，混合扩展的三维架构将设计和建造使用这些发现。 成功的关键是通过将计算结果与团队的实验结果进行比较来测试和改进建模方法。 教育和外联议程包括为一小群女研究生和女本科生开展的团队辅导方案，为代表性不足的群体开展的个人外联工作，以及培训四名研究生和四名本科生。网络教育是该项目的一个特别有趣的方面，其中包含免费提供的网络结构软件和视觉效果的网站将允许研究人员设计自己的DNA上层结构，也将允许社区成员，包括7-12年级，了解更多关于DNA自组装的知识。